<div dir="ltr"><br>Hi All,<br><br>Anyone has resolved this issue. I am also facing the same problem as Zhang mentioned.<br><br>I look forward your answer.<br><br>Best<br>Sudipta<br><br>On Wednesday, December 30, 2009 at 4:43:17 AM UTC+5:30, Luca wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">You should report all details for a correct ansewer.<br>Anyway the problem is the same and it relies on an inconsistency<br>in adding a trailing undescore in the object file name.<br>By default, ifort add a trailing underscore, therefore you do not have<br>problems to compile the cp2k.sopt serial version.<br>When you  use mpif90, mpicc gcc icc ifort etc. to compile libraries<br>and cp2k.popt parallel<br>version, you should check consistency of the compiler options.<br>In your case I suggest you check underscore compatibility.<br>you should see also in mpi and ifort manuals.<br>In this mailing list there are a some notes for g95 compiler.<br>If you have problem with ifort, you can follow these notes.<br>good luck<p>> Thanks, but there is no further information searching the mailing<br>> list. While in my SLmake.in file of compiling scalapack, there has<br>> F77           = /home/zhang/software/cp2k/<wbr>intel/mpich2-ifort/bin/<br>> mpif90<br>> CC            = /home/zhang/software/cp2k/<wbr>intel/mpich2-ifort/bin/mpicc<br>> NOOPT         =  -mp<br>> F77FLAGS      =  $(NOOPT) -O3<br>> CCFLAGS       = -O3<br>> SRCFLAG       =<br>> F77LOADER     = $(F77)<br>> CCLOADER      = $(F77)<br>> F77LOADFLAGS  =<br>> CCLOADFLAGS   =  -nofor_main<br>><br>> CDEFS         = -DNO_IEEE $(USEMPI) -DAdd_<br>><br>> ARCH          = ar<br>> ARCHFLAGS     = cr<br>> RANLIB        = /usr/bin/ranlib<br>><br>> Since the compile error message is so long that I miss some beginning<br>> part, I noticed that the lib files, libcp2k_base_lib.a<br>> libcp2k_fft_lib.a  libcp2k_lib.a,  generated in CP2K/lib/Linux-x86-64-<br>> intel/popt/ also have the undefined reference problems. Such as:<br>><br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>lib/Linux-<br>> x86-64-intel/popt/libcp2k_lib.<wbr>a(kg_gpw_fm_mol_types.o): In function<br>> `kg_gpw_fm_mol_types_mp_kg_<wbr>gpw_fm_mol_to_fm_mol_':<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_types.F:(.text+<wbr>0xf48): undefined reference to `dcopy_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>lib/Linux-<br>> x86-64-intel/popt/libcp2k_lib.<wbr>a(kg_gpw_fm_mol_utils.o): In function<br>> `kg_gpw_fm_mol_utils_mp_read_<wbr>mo_mol_restart_':<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x740): undefined reference to `dcopy_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x79f): undefined reference to `dcopy_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x7fe): undefined reference to `dcopy_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x222f): undefined referenceto `dcopy_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>lib/Linux-<br>> x86-64-intel/popt/libcp2k_lib.<wbr>a(kg_gpw_fm_mol_utils.o):/<wbr>home/zhang/<br>> software/cp2k/intel/test/cp2k/<wbr>makefiles/../src/kg_gpw_fm_<wbr>mol_utils.F:<br>> (.text+0x2371): more undefined references to `dcopy_' follow<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>lib/Linux-<br>> x86-64-intel/popt/libcp2k_lib.<wbr>a(kg_gpw_fm_mol_utils.o): In function<br>> `kg_gpw_fm_mol_utils_mp_mol_<wbr>mo_random_':<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x79f1): undefined referenceto `dlarnv_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>lib/Linux-<br>> x86-64-intel/popt/libcp2k_lib.<wbr>a(kg_gpw_fm_mol_utils.o): In function<br>> `kg_gpw_fm_mol_utils_mp_fm_<wbr>mol_syevx_':<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x7b8a): undefined referenceto `dlamch_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x7e40): undefined referenceto `ilaenv_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x7e86): undefined referenceto `ilaenv_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x8277): undefined referenceto `dsyevx_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>lib/Linux-<br>> x86-64-intel/popt/libcp2k_lib.<wbr>a(kg_gpw_fm_mol_utils.o): In function<br>> `kg_gpw_fm_mol_utils_mp_fm_<wbr>mol_syevd_':<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x8c9a): undefined referenceto `dsyevd_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x8d07): undefined referenceto `dcopy_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>lib/Linux-<br>> x86-64-intel/popt/libcp2k_lib.<wbr>a(kg_gpw_fm_mol_utils.o): In function<br>> `kg_gpw_fm_mol_utils_mp_fm_<wbr>mol_power_':<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x9181): undefined referenceto `dlamch_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x9500): undefined referenceto `ilaenv_'<br>> /home/zhang/software/cp2k/<wbr>intel/test/cp2k/makefiles/../<wbr>src/<br>> kg_gpw_fm_mol_utils.F:(.text+<wbr>0x9547): undefined referenceto `ilaenv_'<br>><br>> Zhang<br></p></blockquote></div>